Calcium in PDB 7az2: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014:
5.2.1.8;

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014, PDB code: 7az2 was solved by M.Wolter, L.V.Dijck, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.24 / 1.08
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.142, 112.024, 62.456, 90, 90, 90
R / Rfree (%)	18.5 / 19.7

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014 also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Fluorine	(F)	3 atoms

The binding sites of Calcium atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014 (pdb code 7az2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014, PDB code: 7az2:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:21.5 occ:1.00 O A:GLU110 2.3 19.1 1.0 OE1 A:GLU35 2.3 19.3 1.0 O A:HOH508 2.3 27.6 1.0 O A:HOH621 2.4 30.1 1.0 OE2 A:GLU35 2.9 29.7 1.0 CD A:GLU35 2.9 22.6 1.0 C A:GLU110 3.5 15.9 1.0 O A:HOH628 4.0 46.7 1.0 N A:GLY112 4.0 18.0 1.0 CG A:GLU35 4.3 17.7 1.0 CA A:GLU110 4.4 15.2 1.0 N A:ALA111 4.4 15.4 1.0 OE1 A:GLU110 4.4 42.1 1.0 CA A:ALA111 4.5 16.3 1.0 O A:HOH456 4.5 31.3 1.0 CB A:GLU110 4.5 17.1 1.0 O A:HOH626 4.6 31.9 1.0 O A:HOH443 4.6 37.2 1.0 C A:ALA111 4.7 16.2 1.0 CA A:GLY112 4.8 18.2 1.0

Calcium binding site 2 out of 2 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:76.2 occ:0.95 OE1 A:GLU2 2.5 17.8 1.0 O A:HOH649 2.6 39.5 1.0 O A:HOH425 2.6 16.6 1.0 CD A:GLU2 3.5 14.7 1.0 OE2 A:GLU2 3.8 17.7 1.0 O A:HOH593 4.3 17.4 1.0 O A:HOH717 4.4 18.9 1.0 CG A:GLU2 4.8 15.0 1.0 CA A:GLU2 4.9 12.2 1.0

P.J.Cossar, M.Wolter, L.Van Dijck, D.Valenti, L.M.Levy, C.Ottmann, L.Brunsveld. Reversible Covalent Imine-Tethering For Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc. 2021.
ISSN: ESSN 1520-5126
PubMed: 34047554
DOI: 10.1021/JACS.1C03035